QF2

6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione

Created:	2020-06-12
Last modified:	2020-07-29

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1 entries where QF2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	6

2D diagram of QF2

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Chemical Component Summary
Name	6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
Formula	C₁₇ H₁₉ N₃ O₅
Molecular Weight	345.35
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(CN(CC2=CC(=O)NC(=O)N2)C3CC3)cc4OCOc14
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4
Canonical SMILES	CACTVS	3.385	COc1cc(CN(CC2=CC(=O)NC(=O)N2)C3CC3)cc4OCOc14
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4
InChI	InChI	1.03	InChI=1S/C17H19N3O5/c1-23-13-4-10(5-14-16(13)25-9-24-14)7-20(12-2-3-12)8-11-6-15(21)19-17(22)18-11/h4-6,12H,2-3,7-9H2,1H3,(H2,18,19,21,22)
InChIKey	InChI	1.03	PUMQGUSCXBWFJA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	47057537

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